| SpectraBase Spectrum ID |
ENRzLoQVuX4 |
| Name |
1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-11-methyl-1,3,6,8,10-tridecapentaen-12-yn-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H20O |
| InChI |
InChI=1S/C23H20O/c1-4-20(3)13-7-6-8-17-23(24)18-12-11-16-22-15-10-9-14-21(5-2)19-22/h1-2,6-18H,19H2,3H3/b7-6+,16-11+,17-8+,18-12+,20-13+ |
| InChIKey |
OGJQHIMYYLQPLX-NVXRNXLBSA-N |
| Molecular Weight |
312.412 g/mol |
| SMILES |
C(#C)C1=CC=CC=C(C1)\C=C\C=C\C(\C=C\C=C\C=C\(C#C)C)=O |
| SPLASH |
splash10-014i-9001000000-dfa42f4e01bd788fb107 |
| Source of Spectrum |
AJ-68-3533-54 |
| Synonyms |
(1E,3E,6E,8E,10E)-1-(6-ethynyl-1,3,5-cycloheptatrien-1-yl)-11-methyl-1,3,6,8,10-tridecapentaen-12-yn-5-one |
| Wiley ID |
773487 |
